SCHEMBL8084685

SCHEMBL8084685

NCCSc1cc(N)nc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
HSP90AB1 P08238 1/20 0.36
P2RY12 Q9H244 1/20 0.33
DDAH1 O94760 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT6 P42226 1/20 0.33
SCN9A Q15858 2/20 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
SCHEMBL8086252 0.84 KMT2A (0.46) KMT2ALMNATSHRNPC1L3MBTL1
SCHEMBL14163375 0.76 KMT2A (0.42) KMT2ALMNATSHRNPC1L3MBTL1
SCHEMBL763785 0.71 HRH4 (0.37) KMT2ANPC1MAPTHSP90AB1
SCHEMBL96485 0.68
SCHEMBL754084 0.67 KMT2A (0.40) KMT2ANPC1L3MBTL1MAPTKDM4E
SCHEMBL9155259 0.66 KMT2A (0.33) KMT2AKDM4EABL1RIN1
SCHEMBL6360346 0.66 MAPT (0.46) KMT2ANPC1MAPTKDM4ECYP3A4
SCHEMBL11769384 0.65 NOS2 (0.40)
SCHEMBL13744682 0.61 TSHR (0.59) KMT2ALMNATSHRNPC1L3MBTL1
SCHEMBL14020954 0.61 TSHR (0.37) KMT2ALMNATSHRNPC1MAPT

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-0522964-B1 Compositions to arrest hair loss and to induce and stimulate hair growth based on 2,4-diamino-pyrimidin-3-oxide derivatives OREAL (FR) 2000-10-04 EP disclosed