SCHEMBL23625516

SCHEMBL23625516

Cc1ccc(-c2cccc(-c3cc(C)cc(N)c3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL9886641 0.90 MAOA (0.59) DHODHMAOAALDH1A1TSHRMEN1
SCHEMBL12354295 0.90 ALDH1A1 (0.52) DHODHMAOAALDH1A1TSHRMEN1
SCHEMBL14444050 0.90 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL13448362 0.88 MAOA (0.61) MAOAALDH1A1TSHRMEN1KMT2A
SCHEMBL13447709 0.88 MAOA (0.56) MAOAALDH1A1TSHRMEN1KMT2A
SCHEMBL13447692 0.86 MAOA (0.59) DHODHMAOAALDH1A1TSHRMEN1
SCHEMBL3789404 0.86 MAOA (0.58) MAOAALDH1A1TSHRMEN1KMT2A
SCHEMBL18324673 0.86 ALDH1A1 (0.52) DHODHMAOAALDH1A1TSHRMEN1
SCHEMBL593289 0.85 ALDH1A1 (0.63) MAOAALDH1A1TSHRMEN1KMT2A
SCHEMBL29546473 0.85 ALDH1A1 (0.63) MAOAALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed