SCHEMBL19234510

SCHEMBL19234510

CCc1ccc(NC(=O)[C@@H](N)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 7/20 0.56
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ SRC P12931 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL24324832 0.87 SPHK1 (0.64) SPHK1RAB9ASMN1; SMN2NPC1HDAC3
SCHEMBL20715478 0.85 MAPT (0.58) SPHK1CRHBPCRHR2RAB9ASMN1; SMN2
SCHEMBL20715479 0.85 MAPT (0.58) SPHK1CRHBPCRHR2RAB9ASMN1; SMN2
SCHEMBL25562017 0.85 TERT (0.54) SPHK1CRHBPCRHR2SRCRAB9A
SCHEMBL10223253 0.82 CRHBP (0.59) CRHBPCRHR2SRCRAB9ASMN1; SMN2
SCHEMBL370590 0.81 CRHBP (0.59) SPHK1CRHBPCRHR2SRCRAB9A
SCHEMBL26464767 0.80 SPHK1 (0.60) SPHK1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL19234512 0.80 SPHK1 (0.69) SPHK1CRHBPCRHR2SRCRAB9A
SCHEMBL25069090 0.79 KMT2A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8972648 0.79 NPC1 (0.53) RAB9ASMN1; SMN2NPC1KMT2AATM

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
WO-2017136943-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2017-08-17 — — WO disclosed
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