SCHEMBL9810645

SCHEMBL9810645

COc1ccc(-n2nncc2S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
XDH P47989 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
SCHEMBL7133413 0.81 NQO1 (0.45) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL8677868 0.79 FLT3 (0.53) PTGS1PTGS2CYP1A2CYP2C9HSD11B1
SCHEMBL28047040 0.79 HSD11B1 (0.50) PTGS1PTGS2CYP1A2CYP2C9HSD11B1
SCHEMBL5646683 0.73 HSD11B1 (0.55) PTGS1PTGS2HSD11B1MAPTLMNA
SCHEMBL11846648 0.73 HSD11B1 (0.41) PTGS1PTGS2HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL15553292 0.73 MAPT (0.48) PTGS1PTGS2CYP1A2CYP2C9ALDH1A1
SCHEMBL6848468 0.72 PTGS2 (0.69) PTGS1PTGS2ALDH1A1MAPTHTT
SCHEMBL3298388 0.71 ALDH1A1 (0.55) PTGS2CYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL31488309 0.70 CYP1A2 (0.46) PTGS1PTGS2CYP1A2CYP2C9HSD11B1
SCHEMBL28266071 0.70 PTGS1 (0.67) PTGS1PTGS2HSD11B1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028519-A Silver halide color photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 1991-07-02 US disclosed