SCHEMBL7312018

SCHEMBL7312018

CCC(Cl)Oc1ccc(C(=O)C(C)Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
PARP10 Q53GL7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ESR1 P03372 1/20 0.37
HIF1A Q16665 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C9 P11712 1/20 0.35
HTT P42858 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5260478 0.80 MAPT (0.52) KMT2APARP10ALDH1A1HPGDNPSR1
SCHEMBL10574446 0.80 KMT2A (0.59) KMT2AALDH1A1HTTMAPTTP53
SCHEMBL5747150 0.80 KMT2A (0.63) KMT2APARP10ALDH1A1CYP1A2MEN1
SCHEMBL5259133 0.79 GSK3B (0.57) KMT2APARP10
SCHEMBL4460034 0.78 KMT2A (0.41) KMT2APARP10ALDH1A1CYP1A2MEN1
SCHEMBL30669210 0.77 NQO1 (0.38) KMT2AALDH1A1SMN1; SMN2ESR1HIF1A
SCHEMBL10799504 0.77 ALOX15 (0.54) KMT2APARP10ALDH1A1CYP1A2MEN1
SCHEMBL5743825 0.77 PARP10 (0.58) KMT2APARP10ALDH1A1MEN1SMN1; SMN2
SCHEMBL9482865 0.76 HPGD (0.57) KMT2ACYP1A2MEN1SMN1; SMN2HPGD
SCHEMBL10659869 0.76 STS (0.53) ALDH1A1SMN1; SMN2HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed
US-4791200-A ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed