SCHEMBL11442607

SCHEMBL11442607

O=C(Nc1nnn[nH]1)c1cccc2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.42
▸ PREP P48147 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ PDE6D O43924 1/20 0.37
▸ PDE8A O60658 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE9A O76083 1/20 0.37
▸ PDE8B O95263 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
SCHEMBL12892209 0.87 MAPT (0.52) CNR1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9501879 0.76 NPC1 (0.56) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL27961959 0.75 PLK1 (0.65) PREPPOLBHDAC2HDAC6MMP3
SCHEMBL11105640 0.74 KDM4E (0.60) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL11435882 0.73 PARP1 (0.51) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL11556569 0.73 KDM4E (0.40) SMN1; SMN2KDM4EMAPTPOLBKMT2A
SCHEMBL11195781 0.73 MAPT (0.55) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL1250218 0.72 ALDH1A1 (0.50) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL2662445 0.72 ALPL (0.61) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL153149 0.72 LMNA (0.58) SMN1; SMN2NPC1RAB9AKMT2AHDAC2

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
US-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 — — US disclosed
Send feedback