SCHEMBL18099790

SCHEMBL18099790

c1cc2c(ccc3cnncc32)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
ERN1 O75460 1/20 0.44
HTT P42858 3/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
PRKCZ Q05513 2/20 0.37
CDK5 Q00535 2/20 0.37

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
SCHEMBL445595 0.87 IMPDH2 (0.58) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL18099780 0.86 CLK1 (0.46) IMPDH2KDM4ELMNACYP1A2CYP3A4
Bromide SCHEMBL27922950 0.85 IMPDH2 (0.56) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL1419181 0.83 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL29568879 0.83 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL22045587 0.82 KDM4E (0.34) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL12532558 0.78 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2313911 0.78 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL3693486 0.76 CYP3A4 (0.57) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL29398977 0.76 CYP3A4 (0.57) IMPDH2KDM4ELMNACYP1A2CYP3A4

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
US-9947877-B2 Organic light emitting display device LG DISPLAY CO., LTD. (KR) 2018-04-17 US disclosed
US-9947877-B2 Organic light emitting display device LG DISPLAY CO., LTD. (KR) 2018-04-17 US disclosed
US-20160285010-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-09-29 US disclosed