SCHEMBL8010079

SCHEMBL8010079

NC1(N)C=C(C(=O)c2ccccc2)C=CC1(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
SRD5A2 P31213 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
HPGDS O60760 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL9954148 0.85 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL27617520 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL2404185 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL16830741 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1ATMSRD5A2
Hydrochloric Acid SCHEMBL7192938 0.70 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL528382 0.69 ALDH1A1 (0.42) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL156513 0.69 ALDH1A1 (0.42) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL27557280 0.68 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL4035522 0.68 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1ATMSRD5A2
SCHEMBL11743114 0.68 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1ATMSRD5A2

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-1027387-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-08-16 EP disclosed
EP-0970148-A1 OLIGOMERIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1999023169-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-14 WO disclosed
WO-1998041581-A1 OLIGOMERIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed