SCHEMBL9140644

SCHEMBL9140644

COc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)O)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 6/20 0.56
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ROCK2 O75116 2/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL9139197 0.93 POLB (0.50) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL8869612 0.92 MEN1 (0.49) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL8868995 0.92 POLB (0.49) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL9140037 0.91 P4HTM (0.60) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL9139910 0.91 POLB (0.48) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL8868916 0.90 POLB (0.47) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL9139908 0.89 MEN1 (0.47) P4HTMPOLBTDP1MEN1KMT2A
SCHEMBL9018163 0.86 POLB (0.49) POLBTDP1MEN1KMT2AMAPT
SCHEMBL9138339 0.85 P4HTM (0.65) P4HTMPOLBMEN1KMT2ARAB9A
SCHEMBL9139775 0.85 P4HTM (0.61) P4HTMMEN1KMT2AMAPTRAB9A

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 — — US disclosed
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