SCHEMBL9259620

SCHEMBL9259620

O=C(NCc1ccccc1)c1ccc2oc(SCCC=C(F)F)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
PLAU P00749 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9184152 0.83 RAB9A (0.54) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL9263551 0.80 MAPT (0.54) MAPTLMNASMN1; SMN2RAB9AKMT2A
SCHEMBL9189460 0.80 KMT2A (0.43) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL9185826 0.77 MAPT (0.41) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL9181536 0.75 MAPT (0.40) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL9187035 0.75 HPGD (0.46) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL9186890 0.73 DDAH1 (0.45) ADORA2ACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9183583 0.73 TMEM97 (0.55) CYP1A2MAPTLMNASMN1; SMN2RAB9A
SCHEMBL7631677 0.73 RAB9A (0.42) MAPTLMNASMN1; SMN2RAB9AKMT2A
SCHEMBL9184408 0.72 DDAH1 (0.41) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2

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-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed