SCHEMBL17281442

SCHEMBL17281442

Cc1cccc(N2CCCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.67
▸ KCNH2 Q12809 2/20 0.59
▸ PRMT6 Q96LA8 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ TP53 P04637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ DHFR P00374 1/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ APP P05067 1/20 0.49

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
SCHEMBL3307690 1.00 ADRB1 (0.67) ADRB1KCNH2PRMT6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1803475 0.98 ADRB1 (0.65) ADRB1KCNH2PRMT6ALDH1A1MAPT
SCHEMBL12991 0.98 ADRB1 (0.69) ADRB1KCNH2PRMT6ALDH1A1MAPT
SCHEMBL8264176 0.94 ADRB1 (0.69) ADRB1KCNH2PRMT6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27827352 0.92 ADRB1 (0.67) ADRB1KCNH2PRMT6ALDH1A1MAPT
SCHEMBL10373770 0.89 ADRB1 (0.74) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL11103700 0.89 ADRB1 (0.74) ADRB1KCNH2ALDH1A1MAPTRAB9A
SCHEMBL22944451 0.86 ADRB1 (0.51) ADRB1KCNH2PRMT6ALDH1A1MAPT
Nitrogen SCHEMBL11690640 0.86 ADRB1 (0.56) ADRB1KCNH2PRMT6ALDH1A1MAPT
SCHEMBL22685038 0.84 ALDH1A1 (0.59) ADRB1PRMT6ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 — — EP disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 — — US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO disclosed
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