SCHEMBL9724951

SCHEMBL9724951

O=[C]C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)CCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ REN P00797 1/20 0.40
▸ GPR142 Q7Z601 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL9724957 0.88 CYP1A2 (0.41) CTSLCTSBCYP1A2GPR132HDAC8
SCHEMBL7286971 0.83 PSMB5 (0.51) RENCTSLCTSBCTSS
SCHEMBL7286963 0.83 PSMB5 (0.51) RENCTSLCTSBCTSS
SCHEMBL7285504 0.83 CTSS (0.50) RENCTSLCTSBCTSSHDAC8
SCHEMBL7285491 0.83 CTSS (0.50) RENCTSLCTSBCTSSHDAC8
SCHEMBL7295646 0.82 CYP1A2 (0.43) TSHRALDH1A1HPGDALOX15TDP1
SCHEMBL7295654 0.82 CYP1A2 (0.43) TSHRALDH1A1HPGDALOX15TDP1
SCHEMBL7442083 0.81 REN (0.40) RENTDP1CTSLCTSBCTSS
SCHEMBL7286303 0.80 TACR1 (0.54) CTSLCTSBCTSS
SCHEMBL7286309 0.80 TACR1 (0.54) CTSLCTSBCTSS

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-5134124-A USE OF A STATIN DERIVATIVE IN THE TREATMENT OF EYE COMPLAINTS SANOFI (FR) 1992-07-28 — — US disclosed
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