SCHEMBL6948406

SCHEMBL6948406

COc1ccc(-n2c(C)ccc2C)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
MAPK1 P28482 1/20 0.55
NR4A1 P22736 1/20 0.46
MAPT P10636 7/20 0.43
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
CPS1 P31327 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL5005090 0.79 NR4A1 (0.66) ALDH1A1MAPK1NR4A1MAPTKDM4E
SCHEMBL31393253 0.76 NPSR1 (0.50) ALDH1A1MAPK1NR4A1MAPTKDM4E
SCHEMBL9339091 0.76 GLA (0.46) ALDH1A1NR4A1MAPTKDM4ELMNA
SCHEMBL4337629 0.75 MAOB (0.53) LMNA
SCHEMBL20575403 0.73 MYC (0.54) ALDH1A1NR4A1MAPTKDM4ELMNA
SCHEMBL31733462 0.73 MYC (0.54) ALDH1A1NR4A1MAPTKDM4ELMNA
SCHEMBL8129610 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTKDM4ELMNA
SCHEMBL8138147 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNATSHR
SCHEMBL370408 0.71 CA12 (0.62) ALDH1A1MAPK1MAPTLMNACA12
SCHEMBL171839 0.71 CYP1A2 (0.47) ALDH1A1KDM4ECPS1CA12CA1

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
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO disclosed