SCHEMBL6183030

SCHEMBL6183030

c1ccc(C[N+](Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.50
▸ TSHR P16473 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ IDO1 P14902 3/20 0.45
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TRPA1 O75762 1/20 0.45
▸ MAOB P27338 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ THRB P10828 1/20 0.39

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
SCHEMBL3899677 0.83 TP53 (0.50) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL10525191 0.79 TDP1 (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL9269401 0.77 SIGMAR1 (0.41) CALM1TP53TRPA1CYP2A6HTR2A
SCHEMBL10625103 0.77 MAOB (0.37) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL4298038 0.75 CALM1 (0.45) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL3444486 0.75 TSHR (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL3571872 0.75 LOXL2 (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL422732 0.75 CALM1 (0.45) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL297197 0.75 TP53 (0.48) CALM1TSHRALDH1A1IDO1LOXL2
SCHEMBL6042974 0.75 TSHR (0.48) CALM1TSHRALDH1A1IDO1LOXL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP claimed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — WO claimed
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