SCHEMBL8907997

SCHEMBL8907997

Nc1ccc(Oc2cccc(C(=O)c3cccc(C(=O)c4cccc(Oc5ccc(N)cc5)c4)c3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MITF O75030 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
GFER P55789 1/20 0.63
NLRP1 Q9C000 1/20 0.63
NOD2 Q9HC29 1/20 0.63
PARP10 Q53GL7 2/20 0.60
TNKS O95271 1/20 0.60
PARP15 Q460N3 1/20 0.60
PARP14 Q460N5 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
AKR1C3 P42330 1/20 0.56
MAOA P21397 1/20 0.52
STS P08842 3/20 0.51
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL8903435 0.98 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL310329 0.98 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL29436294 0.98 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL308153 0.95 PARP10 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL8904694 0.95 PARP10 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL7802758 0.95 PARP10 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL27188052 0.91 PARP10 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL203590 0.91 PARP10 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL28376674 0.89 STS (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMITF
SCHEMBL10410661 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMITF

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
US-5633112-A Photosensitive resin composition containing a carboxylic acid polymer, photoacid generator and secondary or tertiary aliphatic amine HITACHI, LTD. (JP) 1997-05-27 US disclosed