SCHEMBL7964275

SCHEMBL7964275

CC(C)c1cc(C=C(C#N)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc(C(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ KDR P35968 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ EPHX1 P07099 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ GALR3 O60755 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ ACP3 P15309 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL7964271 1.00 MAPT (0.42) MAPTKDRSMN1; SMN2EGFRLMNA
SCHEMBL7964269 1.00 MAPT (0.42) MAPTKDRSMN1; SMN2EGFRLMNA
SCHEMBL7963389 0.87 LMNA (0.38) MAPTEGFRLMNAGAAHTR2A
SCHEMBL7963384 0.87 LMNA (0.38) MAPTEGFRLMNAGAAHTR2A
SCHEMBL7963391 0.87 LMNA (0.38) MAPTEGFRLMNAGAAHTR2A
SCHEMBL7964110 0.85 MAPT (0.43) MAPTSMN1; SMN2EGFRLMNAGAA
SCHEMBL7964107 0.85 MAPT (0.43) MAPTSMN1; SMN2EGFRLMNAGAA
SCHEMBL7964113 0.85 MAPT (0.43) MAPTSMN1; SMN2EGFRLMNAGAA
SCHEMBL7967179 0.82 SMN1; SMN2 (0.44) MAPTKDRSMN1; SMN2EGFRLMNA
SCHEMBL7967176 0.82 SMN1; SMN2 (0.44) MAPTKDRSMN1; SMN2EGFRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 — — WO claimed
US-6225346-B1 FOR THERAPY AND PROPHYLAXIS OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. 2001-05-01 — — US disclosed
Send feedback