SCHEMBL17505177

SCHEMBL17505177

Nc1ccc2[nH]c(=O)c(F)c(CCCO)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.46
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ AR P10275 1/20 0.40
▸ NGFR P08138 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR3A P46098 1/20 0.36

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
SCHEMBL17505170 0.83 HSD17B10 (0.49) PARP1CA12CA9ARNGFR
SCHEMBL17505211 0.73 AR (0.49) PARP1CA12CA9RAD52AR
SCHEMBL1771247 0.70 AR (0.55) PARP1CA12CA9ARNGFR
SCHEMBL17505198 0.69 PARP1 (0.44) PARP1CA12CA9ARNGFR
SCHEMBL17505187 0.68 HSD17B10 (0.74) PARP1CA12CA9ARKDM4E
SCHEMBL17505203 0.67 HSD17B10 (0.56) PARP1CA12CA9ARNGFR
SCHEMBL17505210 0.67 ALDH1A1 (0.65) PARP1CA12CA9NGFRKDM4E
SCHEMBL8978738 0.65 HPGD (0.64) MAPTHSD17B10CYP2C19CYP1A2CYP3A4
SCHEMBL17505141 0.65 TSHR (0.47) PARP1CA12CA9ARKDM4E
SCHEMBL28208179 0.65 KEAP1 (0.44) PARP1CA12CA9ARNGFR

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
WO-2016022915-A1 6-SULFONYLAMINO QUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — WO disclosed
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