SCHEMBL19648874

SCHEMBL19648874

COc1ccc(N2C=CC(C3=CCN(c4ccc(OC)cc4)C=C3)=CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MGLL Q99685 1/20 0.42
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL16573108 0.85 SIGMAR1 (0.33) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL19648885 0.82 BCHE (0.35) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL5519960 0.77 PARP10 (0.44) MGLLPOLBCA1CA2MAPT
SCHEMBL12817707 0.73 POLB (0.42) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL4793606 0.70 HTR3E (0.59) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL16573109 0.70 KMT2A (0.32) HSD17B10MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16570142 0.69 TDP1 (0.35) POLBHSD17B10MAPTRAB9AKMT2A
SCHEMBL11504114 0.68 HTR3E (0.61) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL15993007 0.67 POLB (0.43) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL2925759 0.65 HTR3E (0.68) SIGMAR1HTR3EHTR3BADRB1HTR3A

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
EP-2848669-B1 Electrochromic composition ESSILOR INT (COMPAGNIE GÉNÉRALE D'OPTIQUE) (FR) 2017-11-29 EP disclosed