SCHEMBL9547555

SCHEMBL9547555

Cc1ccc(NC(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.52
NPC1 O15118 3/20 0.52
KIF11 P52732 1/20 0.48
TGM2 P21980 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 3/20 0.47
PPARG P37231 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HTT P42858 1/20 0.46
NMT1 P30419 1/20 0.46

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
SCHEMBL19216503 0.84 TDP1 (0.55) TDP1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL19427448 0.82 ALDH1A1 (0.52) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL30320165 0.81 RAB9A (0.55) TDP1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5705038 0.81 TDP1 (0.52) TDP1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL11373630 0.81 TDP1 (0.52) TDP1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL19427499 0.79 NPC1 (0.63) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4770587 0.79 TSHR (0.68) TDP1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14557542 0.78 GAA (0.61) TDP1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL28431265 0.78 TDP1 (0.57) TDP1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL9116925 0.76 RAB9A (0.46) TDP1RAB9ASMN1; SMN2ALDH1A1MEN1

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed