SCHEMBL7798696

SCHEMBL7798696

CC(C)(C)c1ccccc1-c1nc(=O)c2c(-c3ccccc3C(C)(C)C)nc(=O)c1=2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL6545475 0.72 KDM4E (0.44) ALDH1A1TDP1NPC1RAB9AL3MBTL1
SCHEMBL1194484 0.72 ALDH1A1 (0.55) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL10481215 0.71 MAPK1 (0.41) ALDH1A1TDP1NPC1RAB9ANFKB1
Phosphine SCHEMBL2238711 0.70 ALDH1A1 (0.52) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL545684 0.70 ALDH1A1 (0.52) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL14124510 0.69 ALDH1A1 (0.48) TRPA1ALDH1A1TSHRTDP1CA2
SCHEMBL6480259 0.69 POLB (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3623073 0.68 CA2 (0.43) TRPA1ALDH1A1TSHRTDP1RAB9A
SCHEMBL11020611 0.68 ALDH1A1 (0.50) TRPA1ALDH1A1TSHRTDP1NPC1
SCHEMBL30578381 0.68 PTPRC (0.46) TRPA1ALDH1A1TSHRTDP1ATG4B

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-5827364-A Pigment compositions CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-10-27 US claimed
EP-0790281-B1 Pigment compositions CIBA SC HOLDING AG (CH) 2001-12-05 EP disclosed
US-5827364-A Pigment compositions CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-10-27 US disclosed
EP-0790281-A2 Pigment compositions Ciba Spezialitätenchemie Holding AG (Ciba Spécialités Chimiques Holding SA) (Ciba Specialty Chemicals Holding Inc.) (CH) 1997-08-20 EP disclosed