SCHEMBL7861772

SCHEMBL7861772

Clc1nc2ccccc2n1Cc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.66
▸ KDM4E B2RXH2 5/20 0.66
▸ HPGD P15428 5/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ TSHR P16473 4/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ TP53 P04637 3/20 0.50
▸ LMNA P02545 5/20 0.49
▸ CFTR P13569 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ RCE1 Q9Y256 1/20 0.47
▸ ALOX15 P16050 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL9675696 0.78 TSHR (0.61) MAPTKDM4EHPGDSMN1; SMN2TSHR
SCHEMBL1169953 0.77 LMNA (0.70) MAPTKDM4ESMN1; SMN2TP53LMNA
SCHEMBL4097969 0.74 NOD1 (0.71) MAPTKDM4ETSHRTP53LMNA
SCHEMBL9698816 0.73 KCNH2 (0.65) MAPTKDM4EHPGDSMN1; SMN2TSHR
SCHEMBL8137091 0.72 LMNA (0.46) MAPTKDM4EHPGDSMN1; SMN2TP53
SCHEMBL3718063 0.72 RAB9A (0.67) MAPTSMN1; SMN2TSHRTP53LMNA
SCHEMBL3970391 0.72 LMNA (0.58) SMN1; SMN2LMNARAB9AHTTALDH1A1
SCHEMBL7260716 0.72 LMNA (0.58) SMN1; SMN2LMNARAB9AHTTALDH1A1
SCHEMBL1128817 0.72 HTT (0.62) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL20715311 0.72 SMN1; SMN2 (0.69) MAPTKDM4EHPGDSMN1; SMN2TSHR

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
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 — — EP disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 — — US disclosed
EP-0869955-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-14 — — EP disclosed
WO-1997024350-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 — — WO disclosed
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