SCHEMBL4597359

SCHEMBL4597359

CSc1nc2cc(C)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TTR P02766 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
OPRL1 P41146 1/20 0.41
POLB P06746 3/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 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
SCHEMBL4597364 0.85 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8077743 0.84 MAPT (0.41) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8366653 0.81 CYP1A2 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL1171203 0.80 NPC1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL17076824 0.80 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL19558136 0.80 SMN1; SMN2 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL6261732 0.80 SMN1; SMN2 (0.75) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL14311148 0.78 LMNA (0.57) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1101910 0.77 CYP2C19 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL7745159 0.77 RAB9A (0.66) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A

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-7455961-B2 Copolymer and photothermographic material containing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-11-25 US disclosed
US-7410745-B2 Photothermographic material and image forming method using same FUJIFILM CORPORATION (JP) 2008-08-12 US disclosed
US-20080085482-A1 COPOLYMER AND PHOTOTHERMOGRAPHIC MATERIAL CONTAINING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-04-10 US disclosed
EP-1909139-A1 Copolymer and photothermographic material containing the same Konica Minolta Medical & Graphic, Inc. (JP) 2008-04-09 EP disclosed