Sugi Predict

Sugi Predict / Compounds / SCHEMBL9632452

SCHEMBL9632452

SCHEMBL9632452

CCC(=O)c1cccc(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ MMP2 P08253 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ CFTR P13569 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ CD44 P16070 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ G6PD P11413 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CDC25B P30305 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10970621 0.90 HSP90AB1 (0.44) ALDH1A1HSD17B10MMP2PDK2KDM4E
SCHEMBL9631839 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10MMP2CFTRKDM4E
SCHEMBL1207894 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRKDM4EHSP90AB1
SCHEMBL29568750 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRKDM4EHSP90AB1
SCHEMBL9058909 0.82 GABRA1 (0.43) ALDH1A1PDK2KDM4EHSP90AB1HIF1A
SCHEMBL11409639 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10MMP2PDK2CFTR
SCHEMBL8619638 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10MMP2PDK2CFTR
SCHEMBL15958950 0.82 G6PD (0.60) ALDH1A1HSD17B10PDK2KDM4EHSP90AB1
SCHEMBL7547028 0.82 CD44 (0.43) ALDH1A1HSD17B10PDK2KDM4ECD44
SCHEMBL8691817 0.82 PARP1 (0.42) ALDH1A1HSD17B10PDK2KDM4EHSP90AB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104030987-B DIHYDROOROTATE DEHYDROGENASE INHIBITORS 默克雪兰诺有限公司 2017-04-12 — — CN disclosed
CN-104072486-B As the connection-1H-benzoglyoxaline of hepatitis C virus inhibitors SQUIBB BRISTOL MYERS CO. (US) 2016-04-06 — — CN disclosed
CN-103153986-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-05 — — CN disclosed
CN-104072486-A BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO 2014-10-01 — — CN disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 — — CN disclosed
CN-102177141-B bis-1H-benzimidazoles as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO 2014-07-23 — — CN disclosed
CN-102395579-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-03-12 — — CN disclosed
CN-103153986-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-06-12 — — CN disclosed
EP-0368903-B1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) AlliedSignal Inc. (US) 1992-08-26 — — EP disclosed
EP-0368903-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE). ALLIED SIGNAL INC (US) 1990-05-23 — — EP disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 — — EP disclosed
WO-1989000171-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) ALLIED-SIGNAL INC. (US) 1989-01-12 — — WO disclosed
US-4767839-A LIQUID CRYSTAL-FROM A DIACID AND DIESTERDIAMINE ALLIED-SIGNAL INC. (US) 1988-08-30 — — US disclosed