SCHEMBL7412927

SCHEMBL7412927

CC1=c2ccccc2=NC1=S

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CCR6 P51684 1/20 0.33
KDR P35968 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL2074994 0.76 KDR (0.32) KDR
SCHEMBL9076297 0.65
SCHEMBL8827760 0.64 ALK (0.33) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL4515373 0.64 ALDH1A1 (0.32) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL554571 0.64
SCHEMBL858858 0.61 MAPT (0.34) MAPTKMT2AMEN1ALDH1A1
SCHEMBL211306 0.61 TSHR (0.39) LMNAKMT2AALDH1A1POLBKDR
SCHEMBL191345 0.60 ALDH1A1 (0.30) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3520478 0.60 ATM (0.38) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL550600 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233945-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2002-08-28 EP disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
WO-2001038304-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 2001-05-31 WO disclosed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
EP-0983054-A1 HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2000-03-08 EP disclosed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed