SCHEMBL9681469

SCHEMBL9681469

Cc1ccc2c(C(=O)NCc3ccccn3)oc(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
HPGD P15428 4/20 0.55
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
GSK3B P49841 1/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL9219766 0.85 ALDH1A1 (0.53) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL9681460 0.83 RAB9A (0.59) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL9216807 0.83 ALDH1A1 (0.52) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL9683410 0.83 ALDH1A1 (0.49) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL9221111 0.82 ALDH1A1 (0.51) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL9681590 0.82 RAB9A (0.50) RAB9AHPGDNPC1SMN1; SMN2LMNA
SCHEMBL9217619 0.81 RXFP1 (0.51) HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL9216907 0.81 ALDH1A1 (0.53) HPGDSMN1; SMN2KDM4ELMNAHTT
SCHEMBL9212938 0.80 KDM4E (0.53) RAB9AHPGDNPC1SMN1; SMN2KDM4E
SCHEMBL9209998 0.79 TP53 (0.44) RAB9AHPGDNPC1KDM4ELMNA

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-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed