SCHEMBL2203411

SCHEMBL2203411

CCSc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ PRNP P04156 3/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NCEH1 Q6PIU2 4/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ HPRT1 P00492 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34

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
SCHEMBL17875623 0.79 POLB (0.50) POLBPRNPRXFP1PKMSMN1; SMN2
SCHEMBL226246 0.78 POLB (0.54) POLBPRNPRXFP1PKMSMN1; SMN2
SCHEMBL5609776 0.78 ELANE (0.41) CYP2A6TSHRALDH1A1HSD17B10TDP1
SCHEMBL5609770 0.78 ALDH1A1 (0.39) MAPTCYP2A6TSHRALDH1A1HSD17B10
SCHEMBL1057367 0.76 IFNAR1 (0.47) SMN1; SMN2MAPTCYP2A6TSHRALDH1A1
SCHEMBL30958038 0.76 PRNP (0.63) POLBPRNPRXFP1PKMSMN1; SMN2
SCHEMBL2201718 0.75 TSHR (0.37) MAPTCYP2A6TSHRALDH1A1HSD17B10
SCHEMBL12425993 0.71 USP2 (0.35) MAPTNCEH1CYP2A6TSHRALDH1A1
SCHEMBL8850092 0.71 GABRA1 (0.52) POLBSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL30640504 0.71 GABRA1 (0.52) POLBSMN1; SMN2NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964861-B1 ACETYLENE-BASED POLYMER NAT INST OF ADVANCED IND SCIEN (JP) 2012-10-17 — — EP disclosed
US-7977441-B2 Acetylene-based polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-07-12 — — US disclosed
US-20090253872-A1 Acetylene-Based Polymer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-10-08 — — US disclosed
EP-1964861-A1 ACETYLENE POLYMER National Institute of Advanced Industrial Science and Technology (JP) 2008-09-03 — — EP disclosed
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