SCHEMBL9409076

SCHEMBL9409076

COC(=O)c1cc(N(F)c2cc(F)c(F)c(F)c2F)c(N(F)c2cc(F)c(F)c(F)c2F)cc1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
KDM4E B2RXH2 4/20 0.33
SOS1 Q07889 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 4/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
ILK Q13418 1/20 0.32
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31
TSHR P16473 2/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
NQO2 P16083 1/20 0.30
CA12 O43570 2/20 0.30

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
SCHEMBL9409102 0.90 DGAT1 (0.36) DGAT1
SCHEMBL1994444 0.69 MAPT (0.43) CFTRKDM4ESOS1MAPTALDH1A1
SCHEMBL522786 0.67 CA12 (0.47) CFTRKDM4ESOS1MAPTALDH1A1
SCHEMBL20511627 0.67 CA12 (0.47) CFTRKDM4ESOS1MAPTALDH1A1
SCHEMBL1957013 0.66 SLC6A4 (0.46) CFTRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL1957011 0.66 SLC6A4 (0.46) CFTRKDM4EMAPTALDH1A1HSD17B10
SCHEMBL829400 0.66 DGAT1 (0.45) CASP1CA12CA1CA2CA7
SCHEMBL28085635 0.66 DGAT1 (0.45) CASP1CA12CA1CA2CA7
SCHEMBL10364420 0.65 KDM4E (0.50) CFTRKDM4ESOS1MAPTALDH1A1
SCHEMBL19680526 0.65 ALDH1A1 (0.49) KDM4EMAPTALDH1A1HSD17B10GAA

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-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed