SCHEMBL9530888

SCHEMBL9530888

CC1(C)C=C(N2CCCC2=O)c2cccc(Br)c2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PDE7A Q13946 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ CES1 P23141 2/20 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
SCHEMBL9529728 0.85 CNR2 (0.42) TSHRMEN1KMT2APDE7ASMN1; SMN2
SCHEMBL9532407 0.82 GRM5 (0.36) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9530317 0.76 MEN1 (0.40) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL9529724 0.71 LRRK2 (0.38) TSHRPDE7AALDH1A1HPGDCES1
SCHEMBL9587447 0.70 TSHR (0.40) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9530870 0.68 PGR (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9588069 0.65 CA1 (0.38) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9587860 0.65 CA1 (0.38) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16197593 0.65 HSD17B10 (0.50) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL9529816 0.64 ABCC9 (0.41) PDE7ACYP1A2CYP2D6CYP2C9CYP2C19

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
EP-0214743-B1 USE OF QUINOLINE DERIVATIVES IN THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF CEREBROVASCULAR DISORDERS AND CEREBRAL SENILITY BEECHAM GROUP PLC (GB) 1993-05-12 — — EP claimed
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