SCHEMBL9259362

SCHEMBL9259362

O=Cc1cnc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
RAB9A P51151 10/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MITF O75030 1/20 0.47
NPC1 O15118 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45

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
SCHEMBL7450038 0.96 ALOX15 (0.53) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL29183439 0.88 PSMB8 (0.46) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL29183388 0.82 NPC1 (0.48) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL28128556 0.82 NPC1 (0.50) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL15874209 0.82 KDM4E (0.49) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL29183431 0.82 ALDH1A1 (0.51) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL15062653 0.80 NPC1 (0.47) ALOX15TSHRCASP1RAB9AMEN1
SCHEMBL27790043 0.79 CYP3A4 (0.59) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL29183414 0.78 KDM4E (0.55) RAB9AKMT2ANPC1SMN1; SMN2HPGD
SCHEMBL21219959 0.78 TSHR (0.53) ALOX15TSHRCASP1RAB9AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464849-A N-hydroxyurea derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1995-11-07 US disclosed
EP-0566593-A1 N-HYDROXYUREA DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1993-10-27 EP disclosed
WO-1992012141-A1 N-HYDROXYUREA DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-07-23 WO disclosed