SCHEMBL6281567

SCHEMBL6281567

O=c1c2ccccc2cnn1CSc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 6/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.50
▸ PKM P14618 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39

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
SCHEMBL11856795 0.76 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL7759274 0.76 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL7586423 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL29735170 0.75 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL10940866 0.75 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL6216387 0.73 NPC1 (0.64) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL9870217 0.72 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL13799918 0.72 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TDP1PKM
SCHEMBL29703247 0.72 TDP1 (0.72) NPC1RAB9ASMN1; SMN2LMNATDP1
SCHEMBL9027681 0.72 TDP1 (0.72) NPC1RAB9ASMN1; SMN2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903098-B1 Use of phthalazine derivatives ABBOTT GMBH & CO. (DE) 2005-06-07 — — US disclosed
EP-1231982-A2 USE OF PHTHALAZINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 — — EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 — — WO disclosed
WO-2000067734-A2 USE OF PHTHALAZINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 — — WO disclosed
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