SCHEMBL27699657

SCHEMBL27699657

CCCCNC(=O)c1nc(-c2ccc(C)cn2)n(-c2ccc(C)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL27699823 0.88 KMT2A (0.47) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL4986649 0.81 SYK (0.36) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL4992361 0.81 SMN1; SMN2 (0.44) KDM4EHTTSMN1; SMN2P2RX3P2RX2
SCHEMBL27699659 0.77 KMT2A (0.50) ALDH1A1KDM4EHTTSMN1; SMN2TSHR
SCHEMBL4982105 0.74 SMO (0.38) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4990555 0.70 MEN1 (0.38) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5786710 0.69 KMT2A (0.45) ALDH1A1KDM4EHTTSMN1; SMN2NPC1
SCHEMBL4989915 0.69 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL4987515 0.68 SMN1; SMN2 (0.40) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4984582 0.68 ATM (0.39) ALDH1A1KDM4ESMN1; SMN2LMNANPC1

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
CN-101039934-A 1, 5-diheterocyclic-1H-triazole derivatives DAIICHI SEIYAKU CO (JP) 2007-09-19 CN disclosed