SCHEMBL11772011

SCHEMBL11772011

NC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.48
DPP4 P27487 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KIF11 P52732 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL4855348 0.78 KCNN4 (0.43) KCNN4MAPK1KDM4ELMNATAAR1
SCHEMBL10007041 0.78 KCNN4 (0.43) KCNN4DPP4TSHRF2ALDH1A1
SCHEMBL10006934 0.78 KCNN4 (0.43) KCNN4DPP4TSHRF2ALDH1A1
SCHEMBL17077295 0.76 ADRA2A (0.43) KCNN4ALDH1A1MAPK1KDM4ELMNA
SCHEMBL28351446 0.76 CYP1A2 (0.42) KCNN4ALDH1A1MAPK1KDM4ELMNA
SCHEMBL28351447 0.76 CYP1A2 (0.42) KCNN4ALDH1A1MAPK1KDM4ELMNA
SCHEMBL938787 0.74 TAAR1 (0.43) KCNN4MAPK1KDM4ELMNATAAR1
Ammonia Solution, Strong SCHEMBL1484878 0.74 CYP1A2 (0.41) KCNN4ALDH1A1MAPK1KDM4ELMNA
SCHEMBL7396324 0.74 KCNN4 (0.40) KCNN4DPP4TSHRF2ALDH1A1
SCHEMBL29351710 0.72 KIF11 (0.48) KIF11CYP1A2CYP2D6

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-4042620-A Continuous process for the production of maeamic acids RHONE-POULENC, S.A. (FR) 1977-08-16 US disclosed
US-3960887-A Continuous process for the preparation of maleimides RHONE-POULENC S.A. (FR) 1976-06-01 US disclosed
US-3947493-A Process for the production of maleamic acids RHONE-POULENC, S.A. (FR) 1976-03-30 US disclosed