SCHEMBL11399468

SCHEMBL11399468

C=CCN(CC=C)c1ccc(C(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.54
▸ CDC25B P30305 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NR4A1 P22736 1/20 0.51
▸ CDC25A P30304 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 2/20 0.41

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
SCHEMBL1521415 0.86 RAB9A (0.58) ATMALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8999586 0.85 LIG1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL11132905 0.83 LMNA (0.39) ALDH1A1SMN1; SMN2L3MBTL1HPGDLMNA
SCHEMBL88637 0.82 HPGD (0.52) ALDH1A1SMN1; SMN2HPGDLMNANPC1
SCHEMBL250420 0.81 TSHR (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3854600 0.81 KMT2A (0.70) AKR1C3CDC25BCDC25AHSD17B10ALDH1A1
SCHEMBL1977600 0.80 MEN1 (0.65) AKR1C3CDC25BATMNR4A1CDC25A
SCHEMBL11767364 0.79 AKR1C3 (0.44) AKR1C3CDC25BATMNR4A1CDC25A
SCHEMBL28278314 0.79 HPGD (0.47) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL701316 0.78 HPGD (0.70) AKR1C3CDC25BATMNR4A1CDC25A

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-4255577-A Process and intermediates for preparing 3-[4-(disubstituted-amino)phenyl] or STERLING DRUG INC. (US) 1981-03-10 — — US disclosed
US-4200313-A Carbonless duplicating systems STERLING DRUG INC. (US) 1980-04-29 — — US disclosed
US-4187223-A 3-[4-(Disubstituted-amino)phenyl]-3-(diphenylamino)phthalides STERLING DRUG INC. (US) 1980-02-05 — — US disclosed
US-4168378-A THERMOGRAPHY, LEUCO DYES STERLING DRUG INC. (US) 1979-09-18 — — US disclosed
Send feedback