SCHEMBL7841838

SCHEMBL7841838

c1ccc2c(c1)ccn2-n1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNF P01375 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
FGFR1 P11362 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
ROCK1 Q13464 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL7196401 0.84 TDP1 (0.58) TDP1HTTPOLBTNFCYP11B1
SCHEMBL18379331 0.79 CDK4 (0.54) HTTTSHRRAB9AL3MBTL1ALDH1A1
SCHEMBL3389268 0.75 TDP1 (0.48) TDP1HTTPOLBTNFCYP11B1
SCHEMBL1136897 0.73 TDP1 (0.43) TDP1HTTTSHRPOLBL3MBTL1
SCHEMBL4160135 0.71 TDP1 (0.42) AGERTDP1HTTTSHRPOLB
SCHEMBL9903762 0.69 FGFR1 (0.58) TDP1HTTPOLBRAB9AL3MBTL1
SCHEMBL4553023 0.68 TDP1 (0.46) TDP1HTTTSHRPOLBTNF
SCHEMBL7018098 0.68 TDP1 (0.42) TDP1HTTPOLBTNFCYP11B1
SCHEMBL29001215 0.67 CDK4 (0.46) HTTTSHRRAB9AL3MBTL1ALDH1A1
SCHEMBL369486 0.67 TDP1 (0.41) TDP1HTTTSHRPOLBTNF

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
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US disclosed