SCHEMBL9794857

SCHEMBL9794857

CC(C)([NH])Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP3A4 P08684 3/20 0.58
MAPT P10636 2/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2D6 P10635 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2A P28223 5/20 0.51
HTR2C P28335 3/20 0.51
HTR1A P08908 3/20 0.51
HTR6 P50406 3/20 0.51
SLC6A4 P31645 3/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 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
SCHEMBL73842 0.85 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL8699685 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL4100216 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL27452680 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL30354035 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL22879441 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL12413778 0.81 MEN1 (0.56) MEN1KMT2ACYP3A4MAPTAHR
Hydrochloric Acid SCHEMBL27797436 0.81 PMP22 (0.57) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL19134737 0.79 MEN1 (0.55) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL10145510 0.79 MEN1 (0.59) MEN1KMT2ACYP3A4MAPTAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977274-A REACTING PROTECTED GLYCIDYLOXYINDOLE WITH AMINE, DEPROTECTING SANOFI (FR) 1990-12-11 US claimed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP claimed
EP-0228356-B1 HYDROXY-4-INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SANOFI S.A. (FR) 1989-08-02 EP claimed
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
US-4977274-A REACTING PROTECTED GLYCIDYLOXYINDOLE WITH AMINE, DEPROTECTING SANOFI (FR) 1990-12-11 US disclosed
EP-0338352-A3 SALICYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 1990-03-14 EP disclosed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed