SCHEMBL9649012

SCHEMBL9649012

CN(C)c1cccc(Nc2ccc(N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 4/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ EGFR P00533 1/20 0.50
▸ KDM1A O60341 2/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ ALOX15 P16050 2/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL3030672 0.87 KDM1A (0.59) ALDH1A1MAPTEGFRKDM1AMEN1
SCHEMBL28557487 0.85 KDM1A (0.63) ALDH1A1MAPTCYP3A4ALOX12L3MBTL1
SCHEMBL599074 0.81 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4EGFRKDM1A
SCHEMBL80012 0.81 ALDH1A1 (0.73) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL20049388 0.80 MAPT (0.73) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL600071 0.80 KDM1A (0.44) ALDH1A1MAPTCYP3A4L3MBTL1EGFR
SCHEMBL6815707 0.79 KMT2A (0.60) ALDH1A1MAPTCYP3A4CYP1A2CYP2C19
SCHEMBL599828 0.79 EGFR (0.45) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL10571080 0.79 KDM1A (0.53) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL600664 0.78 EGFR (0.45) ALDH1A1CYP3A4EGFRKDM1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900325-A AMINODIPHENYLAMINE COUPLERS, TETRAAMINOPYRIMIDINE DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-13 — — US claimed
EP-0306753-B1 HAIR-DYEING COMPOSITION Henkel Kommanditgesellschaft auf Aktien (DE) 1992-12-30 — — EP disclosed
US-4900325-A AMINODIPHENYLAMINE COUPLERS, TETRAAMINOPYRIMIDINE DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-13 — — US disclosed
EP-0306753-A1 Hair-dyeing composition Henkel Kommanditgesellschaft auf Aktien (DE) 1989-03-15 — — EP disclosed
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