SCHEMBL10534530

SCHEMBL10534530

Cc1cc(Cl)ccc1/N=C1/OCCN1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL10534533 1.00 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTCACNA1B
SCHEMBL10533365 0.85 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL10533523 0.85 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL9812155 0.76 MAPT (0.40) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL727125 0.71 GRM5 (0.47) ALDH1A1HPGDKDM4EMAPTCACNA1B
SCHEMBL727124 0.71 GRM5 (0.47) ALDH1A1HPGDKDM4EMAPTCACNA1B
SCHEMBL10535049 0.70 MAPK1 (0.39) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL11689328 0.69 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTCACNA1B
SCHEMBL23920324 0.66 MAPT (0.48) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL10534035 0.66 GRM5 (0.36) MAPTMEN1KMT2AGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989004595-A2 ECTOPARASITICIDES THE UPJOHN COMPANY (US) 1989-06-01 — — WO disclosed
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