SCHEMBL8905009

SCHEMBL8905009

FC(F)(F)CCc1ccccc1.O=S(=O)(O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
PMP22 Q01453 1/20 0.44
CES1 P23141 6/20 0.41
FAAH O00519 4/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39
PRSS3 P35030 1/20 0.39
KEAP1 Q14145 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
CA1 P00915 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
SCHEMBL27868817 0.92 FAAH (0.42) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL9119441 0.86 ALDH1A1 (0.42) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL144712 0.84 ALDH1A1 (0.48) ALDH1A1CES1FAAHTDP1NPC1
Carbamic Acid SCHEMBL26129592 0.81 CES1 (0.47) ALDH1A1LMNAGAACES1FAAH
SCHEMBL18785764 0.81 ALDH1A1 (0.47) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL9119940 0.80 ALDH1A1 (0.43) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL11143285 0.80 MAOB (0.50) ALDH1A1CES1FAAHTDP1EPHX2
SCHEMBL9120778 0.76 ALDH1A1 (0.43) BLMALDH1A1KDM4ELMNACYP3A4
Trifluoromethanesulfonic Acid SCHEMBL3362549 0.76 ALDH1A1 (0.50) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL11141383 0.76 CALM1 (0.52) ALDH1A1LMNACES1TDP1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637763-A Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N,N'-substituted ureas CIBA-GEIGY CORPORATION (US) 1997-06-10 US disclosed
EP-0584043-B1 Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas CIBA GEIGY AG (CH) 1996-10-30 EP disclosed
US-5508402-A Process for the preparation of N,N'-substituted ureas CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0584043-A1 Process for the preparation of substituted benzenes and benzene sulfonic acid and derivatives thereof and a process for the preparation of N'N-substituted ureas CIBA-GEIGY AG (CH) 1994-02-23 EP disclosed