SCHEMBL39726

SCHEMBL39726

O=C1NCCN1c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
GPR6 P46095 1/20 0.35
MAP3K5 Q99683 1/20 0.35
TSHR P16473 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33

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
SCHEMBL29264505 0.76 PIM1 (0.46) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL9489951 0.73 KDM4E (0.37) MAPTALDH1A1POLBCYP1A2SMN1; SMN2
SCHEMBL40342 0.70 TNKS (0.35) MAPTALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL11289799 0.70 ALDH1A1 (0.39) MAPTALDH1A1POLBGPR6MAP3K5
SCHEMBL39566 0.69 CNR1 (0.34) MAPTALDH1A1POLBTSHRCYP1A2
SCHEMBL146714 0.68 NPC1 (0.56) MAPTALDH1A1POLBCYP1A2CYP3A4
SCHEMBL5029237 0.67 ADRB1 (0.47) ALDH1A1KDM4E
SCHEMBL30590077 0.66 NPC1 (0.38) MAPTALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL11785886 0.66 MAPT (1.00) MAPTALDH1A1POLBGPR6TSHR
SCHEMBL8381345 0.66 MAP3K5 (0.36) MAPTALDH1A1POLBMAP3K5TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682947-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 GB006, Inc. (US) 2020-07-22 EP disclosed
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
CN-106038558-B Compounds and methods for modulating integrin CD11b/CD18 GB006公司 2020-01-10 CN disclosed
EP-3243821-A1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2017-11-15 EP disclosed
CN-106038558-A Compounds and methods for regulating integrin CD11B/CD18 阿德黑雷制药公司 2016-10-26 CN disclosed
CN-103189500-B Compounds and methods for modulating integrin CD11b/CD18 阿德黑雷制药公司 2016-06-15 CN disclosed
CN-103189500-A Compounds and methods for modulating integrin CD11b/CD18 ADHAERE PHARAMACEUTICALS INC 2013-07-03 CN disclosed
EP-2591092-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2013-05-15 EP disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed