SCHEMBL9437646

SCHEMBL9437646

CN1CCN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)C2=N[N]C=C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 3/20 0.39
CTSB P07858 2/20 0.38
AVPR1A P37288 2/20 0.37
AVPR1B P47901 2/20 0.37
REN P00797 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
MMP2 P08253 4/20 0.37
MMP9 P14780 3/20 0.37
ADAMTS4 O75173 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL9437603 0.88 MEN1 (0.46) RENSMN1; SMN2
SCHEMBL9437560 0.88 KMT2A (0.41) RENMMP2MMP9ADAMTS4
SCHEMBL9437648 0.86 MMP2 (0.36) RENSMN1; SMN2MMP2MMP9ADAMTS4
SCHEMBL9437553 0.82 F2 (0.36) TSHRSMN1; SMN2MMP2MMP9ADAMTS4
SCHEMBL7332174 0.81 MMP2 (0.51) HSD17B10CHRM1MMP2MMP9ADAMTS4
SCHEMBL7332179 0.81 MMP2 (0.51) HSD17B10CHRM1MMP2MMP9ADAMTS4
SCHEMBL9437655 0.80 HSD17B10 (0.40) HSD17B10CHRM1CTSBAVPR1AAVPR1B
SCHEMBL9437588 0.77 CHRM1 (0.41) HSD17B10CHRM1CTSBAVPR1AAVPR1B
SCHEMBL9437621 0.77 HSD17B10 (0.39) HSD17B10CHRM1CTSBAVPR1AAVPR1B
SCHEMBL7338091 0.76 ITGB3 (0.48) HSD17B10CHRM1CTSBAVPR1BCTSL

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