SCHEMBL9437516

SCHEMBL9437516

CN1CCN(S(=O)(=O)C[C@H](Cc2ccccc2)C(=O)c2[c]nc(N)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
CTSS P25774 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 5/20 0.37
TSHR P16473 3/20 0.35
GAA P10253 2/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL9437644 0.89 LMNA (0.41) RENCTSSTSHRGAACYP2C19
SCHEMBL9437584 0.87 CTSS (0.34) RENCTSSTSHRGAACYP2C19
SCHEMBL7338169 0.80 HSD17B10 (0.50) CTSSHSD17B10CHRM1TSHRGAA
SCHEMBL7330813 0.80 HSD17B10 (0.50) CTSSHSD17B10CHRM1TSHRGAA
SCHEMBL7333712 0.78 REN (0.41) RENCTSSHSD17B10CHRM1TSHR
SCHEMBL7325021 0.78 REN (0.41) RENCTSSHSD17B10CHRM1TSHR
SCHEMBL7332863 0.74 HSD17B10 (0.46) RENCTSSHSD17B10CHRM1TSHR
SCHEMBL9437563 0.72 CHRM1 (0.42) RENCTSSHSD17B10CHRM1TSHR
SCHEMBL7353235 0.71 REN (0.47) RENCTSSHSD17B10
SCHEMBL7378656 0.70 REN (0.38) RENCTSSHSD17B10CHRM1ALDH1A1

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-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed