SCHEMBL7559097

SCHEMBL7559097

C1=C(c2ccccc2)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CACNA1D Q01668 4/20 0.38
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
P2RX7 Q99572 2/20 0.32
KDM1A O60341 3/20 0.32
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2B6 P20813 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL14663683 0.80 CFTR (0.39) CFTRGOPCALDH1A1CACNA1DLMNA
SCHEMBL30846158 0.70 KDM1A (0.37) ALDH1A1KDM1ALMNA
SCHEMBL6570406 0.68 CYP1A2 (0.41) CFTRGOPCALDH1A1HSD17B10KDM1A
SCHEMBL17382164 0.67 ALDH1A1 (0.44) CFTRGOPCALDH1A1HSD17B10KDM1A
SCHEMBL29560186 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10MAOACYP2B6LMNA
Biphenyl SCHEMBL1358618 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10MAOACYP2B6LMNA
Biphenyl SCHEMBL4002609 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10MAOACYP2B6LMNA
SCHEMBL30108088 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10MAOACYP2B6LMNA
Biphenyl SCHEMBL2548048 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10MAOACYP2B6LMNA
Biphenyl SCHEMBL164 0.61 ALDH1A1 (1.00) ALDH1A1HSD17B10MAOACYP2B6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530389-B Preparation method of 2-aryl cyclopropylamine compound 东北师范大学 2020-06-09 CN claimed
CN-107488090-B Efficient catalytic asymmetric preparation method of N-cyclopropyl nitrone compound 东北师范大学 2020-06-02 CN claimed
CN-112958154-B Application of silicon amino rare earth compound in catalyzing reaction of isatin compound and cyclopropenone compound 苏州大学 2024-03-19 CN disclosed
WO-2020241715-A1 POLAR GROUP-CONTAINING OLEFIN COPOLYMER 国立大学法人東京大学 2020-12-03 WO disclosed
CN-108530389-B Preparation method of 2-aryl cyclopropylamine compound 东北师范大学 2020-06-09 CN disclosed
CN-107488090-B Efficient catalytic asymmetric preparation method of N-cyclopropyl nitrone compound 东北师范大学 2020-06-02 CN disclosed
CN-107522635-B N-cyclopropyl nitrone derivatives and preparation method thereof 东北师范大学 2020-02-14 CN disclosed
WO-2002065216-A2 CATIONICALLY CURABLE COMPOSITIONS CONTAINING TRIARYLCYCLOPROPENYLIUM SALTS UCB, S.A. (BE) 2002-08-22 WO disclosed
US-6420460-B1 CURABLE COMPOUND RELEASING PROTONS UCB S.A. (BE) 2002-07-16 US disclosed