SCHEMBL11583858

SCHEMBL11583858

CC(=N)c1ccc(Cc2ccc(C(C)=N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.58
▸ LMNA P02545 1/20 0.50
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ SRD5A2 P31213 2/20 0.41
▸ PLA2G10 O15496 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CA12 O43570 2/20 0.36

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
SCHEMBL20382745 0.91 LMNA (0.64) KMT2ALMNASRD5A2PLA2G10PLA2G2A
SCHEMBL20041199 0.89 KMT2A (0.48) KMT2ALMNAESR1ESR2SRD5A2
SCHEMBL18644564 0.83 NOS3 (0.39) KMT2ALMNAESR1ESR2PRSS1
SCHEMBL10308978 0.82 ALDH1A1 (0.54) KMT2APRSS1ALDH1A1TDP1CA2
SCHEMBL24620530 0.80 LOXL2 (0.64) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL11946753 0.80 IDO1 (0.48) KMT2ALMNAPRSS1PRSS2PRSS3
SCHEMBL23047513 0.78 PLK1 (0.52) KMT2ALMNAESR1ESR2ALDH1A1
SCHEMBL21324612 0.77 LMNA (0.47) KMT2ALMNAESR1ALDH1A1TSHR
SCHEMBL19917504 0.77 ALDH1A1 (0.50) KMT2ALMNAALDH1A1CYP3A4TSHR
SCHEMBL9889057 0.77 ESR1 (0.56) KMT2ALMNAESR1ESR2PRSS1

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-4066609-A GLASS FABRIC OR FIBER CIBA-GEIGY CORPORATION (US) 1978-01-03 — — US disclosed
US-3944525-A Crosslinked resins prepared from an N,N'-bis-imide and a schiff base CIBA-GEIGY CORPORATION (US) 1976-03-16 — — US disclosed
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