SCHEMBL21760925

SCHEMBL21760925

Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.63
▸ KMT2A Q03164 7/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ITGB2 P05107 3/20 0.53
▸ ITGAM P11215 3/20 0.53
▸ MAP3K5 Q99683 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ MYC P01106 1/20 0.48
▸ PSMB8 P28062 1/20 0.48

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
SCHEMBL46557 0.86 MEN1 (0.70) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2302382 0.83 KMT2A (0.62) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2302380 0.83 KMT2A (0.62) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL12177202 0.82 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL12177177 0.81 ENPP2 (0.64) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL3895634 0.80 POLB (0.72) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL3895627 0.80 POLB (0.72) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL15374280 0.80 POLB (0.72) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL14291863 0.79 LCK (0.59) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL29665060 0.79 LCK (0.73) MEN1KMT2ARAB9ANPC1POLB

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
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 — — EP disclosed
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