SCHEMBL20041199

SCHEMBL20041199

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.42
▸ SRD5A2 P31213 1/20 0.39
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PLA2G10 O15496 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CA12 O43570 2/20 0.32

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
SCHEMBL10599649 0.89 KMT2A (0.58) KMT2ALMNASRD5A2ESR1ESR2
SCHEMBL11583858 0.89 KMT2A (0.58) KMT2ALMNASRD5A2ESR1ESR2
SCHEMBL23950579 0.87 GRIK2 (0.33) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL10492823 0.81 LMNA (0.64) KMT2ALMNASRD5A2PLA2G10PLA2G2A
SCHEMBL20382745 0.81 LMNA (0.64) KMT2ALMNASRD5A2PLA2G10PLA2G2A
SCHEMBL23268269 0.80 HSD17B1 (0.37) ALDH1A1TDP1GRIK2
SCHEMBL18856115 0.79 KMT2A (0.48) KMT2ALMNASRD5A2ALDH1A1
SCHEMBL19072622 0.76 KMT2A (0.45) KMT2ALMNASRD5A2ESR1ESR2
SCHEMBL6704209 0.75 THRB (0.44) KMT2AESR1ESR2HDAC1THRA
SCHEMBL18644564 0.74 NOS3 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714716-B1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS SOCPRA SCIENCES SANTE ET HUMAINES S E C (CA) 2018-04-11 — — EP disclosed
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