SCHEMBL19791143

SCHEMBL19791143

Sc1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.44
▸ TRPM4 Q8TD43 1/20 0.33
▸ CYP1A2 P05177 4/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2A6 P11509 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ IDO1 P14902 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAD52 P43351 1/20 0.30

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
SCHEMBL20391642 0.83 HPRT1 (0.64) HPRT1TRPM4CYP1A2CYP2C9CYP2C19
SCHEMBL13751677 0.79 HDAC3 (0.50) CYP2C9ALDH1A1HSD17B10THRBHPGD
SCHEMBL12473667 0.78 HPRT1 (0.64) HPRT1TRPM4CYP1A2CYP2C9CYP2C19
SCHEMBL10785261 0.76 ALDH1A1 (0.64) HPRT1CYP1A2ALDH1A1HSD17B10HIF1A
SCHEMBL14289600 0.74 ACHE (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL21693350 0.74 ALDH1A1 (0.61) HPRT1TRPM4CYP1A2CYP2C9CYP2C19
SCHEMBL7638577 0.73 HPRT1 (0.47) HPRT1TRPM4CYP1A2ALDH1A1HSD17B10
SCHEMBL598133 0.73 HPRT1 (0.47) HPRT1TRPM4CYP1A2ALDH1A1HSD17B10
SCHEMBL28569273 0.73 HPRT1 (0.47) HPRT1TRPM4CYP1A2ALDH1A1HSD17B10
SCHEMBL11665375 0.73 HPRT1 (0.64) HPRT1TRPM4CYP1A2ALDH1A1HSD17B10

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-4177238-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED COMPOSITION Lg Chem, Ltd. (KR) 2023-05-10 — — EP disclosed
EP-3272833-B1 COMPOSITION FOR ORGANIC PHOTOELECTRONIC ELEMENT, ORGANIC PHOTOELECTRONIC ELEMENT, AND DISPLAY APPARATUS SAMSUNG SDI CO LTD (KR) 2021-01-13 — — EP disclosed
EP-3272833-A1 COMPOSITION FOR ORGANIC PHOTOELECTRONIC ELEMENT, ORGANIC PHOTOELECTRONIC ELEMENT, AND DISPLAY APPARATUS Samsung SDI Co., Ltd. (KR) 2018-01-24 — — EP disclosed
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