SCHEMBL18601760

SCHEMBL18601760

C=C1N(CCCCl)c2ccccc2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
P2RX1 P51575 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX4 Q99571 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPT P10636 4/20 0.35
PRMT1 Q99873 1/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9738900 0.90 KMT2A (0.46) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL30996203 0.89 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL6093583 0.86 KMT2A (0.53) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL10448669 0.84 KMT2A (0.51) KMT2ACYP1A2CYP2D6SMN1; SMN2HTT
SCHEMBL22799247 0.84 KMT2A (0.51) KMT2ACYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL8708894 0.83 KMT2A (0.50) KMT2ACYP1A2CYP2D6SMN1; SMN2HTT
SCHEMBL9736812 0.83 KMT2A (0.50) KMT2ACYP1A2CYP2D6SMN1; SMN2HTT
SCHEMBL8475420 0.83 KMT2A (0.50) KMT2ACYP1A2CYP2D6SMN1; SMN2HTT
SCHEMBL9868831 0.83 KMT2A (0.50) KMT2ACYP1A2CYP2D6SMN1; SMN2HTT
SCHEMBL19746373 0.83 KMT2A (0.50) KMT2ACYP1A2CYP2D6SMN1; SMN2HTT

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-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed