SCHEMBL8010644

SCHEMBL8010644

Cc1cccc(NC(=O)NCC(c2ccccc2)c2ccccc2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.51
▸ ITGB3 P05106 2/20 0.50
▸ ITGAV P06756 2/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ P2RX7 Q99572 1/20 0.45
▸ CCR3 P51677 2/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL9767143 0.81 LMNA (0.47) CASRLMNA
SCHEMBL444179 0.81 CASR (0.74) CASRP2RX7CCR3LMNAKMT2A
SCHEMBL8005868 0.77 POLB (0.60) CASRCCR3LMNAKMT2AMEN1
SCHEMBL8007408 0.75 CASR (0.64) CASRP2RX7LMNAKMT2AKCNQ2
SCHEMBL14401688 0.75 ALDH1A1 (0.60) ITGB3ITGAVITGB1ITGA5LMNA
SCHEMBL14271765 0.74 MAPK1 (0.50) LMNAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7995663 0.74 CASR (0.62) CASRP2RX7LMNAKMT2AKCNQ2
SCHEMBL8532166 0.73 CCR3 (0.56) CASRITGB3ITGAVITGB1ITGA5
SCHEMBL7305489 0.72 HPGD (0.72) LMNAKMT2AMEN1MAPT
SCHEMBL8007374 0.72 CASR (0.60) CASRP2RX7KMT2AMEN1KCNQ2

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-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 — — US disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 — — EP disclosed
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