SCHEMBL12635481

SCHEMBL12635481

Cc1nc(Oc2cccc([N+](=O)[O-])c2)c2cccn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
JAK3 P52333 6/20 0.39
BTK Q06187 6/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIN1 Q13526 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2040780 0.86 ABCG2 (0.45) F10ABCG2MAPTLMNAPKM
SCHEMBL4203388 0.70 TSHR (0.67) ABCG2MAPTLMNAMEN1KMT2A
SCHEMBL16280446 0.70 JAK2 (0.43) F10ABCG2MAPTLMNAPKM
SCHEMBL16280573 0.70 MAPT (0.41) F10ABCG2MAPTLMNAPKM
SCHEMBL20500742 0.70 PIN1 (0.42) JAK3BTKPIN1
SCHEMBL12371228 0.69 ABCG2 (0.44) F10ABCG2MAPTLMNAMEN1
SCHEMBL30043252 0.69 TSHR (0.64) ABCG2MAPTLMNAMEN1KMT2A
SCHEMBL6273333 0.69 TSHR (0.64) ABCG2MAPTLMNAMEN1KMT2A
SCHEMBL7997068 0.68 MAPT (0.73) MAPTLMNAMEN1KMT2ACYP2C9
SCHEMBL30098452 0.68 MAPT (0.73) MAPTLMNAMEN1KMT2ACYP2C9

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
WO-2011079231-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH GATEKEEPER PHARMACEUTICAL, INC. (US) 2011-06-30 WO disclosed