SCHEMBL11636643

SCHEMBL11636643

c1ccc(CSc2ncn[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.70
GAA P10253 1/20 0.70
ALDH1A1 P00352 3/20 0.67
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 5/20 0.63
NPC1 O15118 2/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MCL1 Q07820 1/20 0.58
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL9851979 0.82 GAA (1.00) HSD17B10GAAALDH1A1RAB9AKDM4E
SCHEMBL25276901 0.78 RAB9A (0.72) HSD17B10GAAALDH1A1RAB9AKDM4E
SCHEMBL14752777 0.76 RAB9A (0.64) GAARAB9AKDM4ENPC1
SCHEMBL6110139 0.73 SMN1; SMN2 (0.58) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL229404 0.70 HDAC1 (0.53) HSD17B10ALDH1A1RAB9ANPC1LMNA
SCHEMBL22170 0.70 DAO (0.50) HSD17B10ALDH1A1RAB9ANPC1LMNA
SCHEMBL10560421 0.69 RAB9A (0.68) HSD17B10RAB9ANPC1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL5155818 0.69 HDAC1 (0.52) HSD17B10ALDH1A1RAB9ANPC1LMNA
SCHEMBL4212367 0.68 GAA (0.56) HSD17B10GAAALDH1A1RAB9AKDM4E
SCHEMBL13373561 0.68 HSD17B10 (0.50) HSD17B10RAB9ANPC1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4128557-A PHOTOGRAPHIC IMAGING MATERIAL EASTMAN KODAK COMPANY (US) 1978-12-05 US claimed
US-4128557-A PHOTOGRAPHIC IMAGING MATERIAL EASTMAN KODAK COMPANY (US) 1978-12-05 US disclosed
US-4123274-A SILVER HALIDE, SILVER SALT OF A 3-AMINO-5-ARYL(ALKYL)THIO-1,2,4-TRIAZOLE, DEVELOPER, BINDER; PHOTOTHERMOGRAPHY EASTMAN KODAK COMPANY (US) 1978-10-31 US disclosed