SCHEMBL2944008

SCHEMBL2944008

SC(CCc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ AR P10275 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ GAA P10253 3/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL11448496 0.81 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1IDO1POLB
Bromide SCHEMBL11403949 0.80 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1IDO1POLB
SCHEMBL11307180 0.79 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1IDO1POLB
SCHEMBL11807688 0.72 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1IDO1POLB
SCHEMBL630978 0.72 TAAR1 (0.63) RAB9ANPC1ALDH1A1IDO1POLB
SCHEMBL11021399 0.72 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1IDO1POLB
SCHEMBL22761575 0.72 POLB (0.61) RAB9ANPC1ALDH1A1IDO1POLB
SCHEMBL31315685 0.71 NPC1 (0.58) RAB9ANPC1ARALDH1A1POLB
SCHEMBL5852590 0.71 ALDH1A1 (0.56) ALDH1A1IDO1POLBTAAR1KMT2A
SCHEMBL784574 0.70 RAB9A (1.00) RAB9ANPC1ARALDH1A1POLB

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-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 — — EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 — — US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 — — US disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 — — EP disclosed
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