SCHEMBL9701948

SCHEMBL9701948

COC(=O)C(N)C(CP(=O)(OC)OC)c1cnc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
TACR3 P29371 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
SCHEMBL9700748 0.91 CYP1A2 (0.46) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL9700735 0.80 CYP1A2 (0.48) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL9701735 0.79 LTA4H (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9742726 0.78 CYP1A2 (0.32) CYP1A2CYP2C9HIF1AALDH1A1NPC1
SCHEMBL9700628 0.67 LAP3 (0.36) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL9701943 0.67 KDM4E (0.38) KMT2AKDM4E
SCHEMBL20141004 0.66 ALDH1A1 (0.56) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL29903077 0.66 ALDH1A1 (0.56) MEN1KMT2ACYP1A2CYP2C9HIF1A
SCHEMBL9742587 0.66 CYP2C9 (0.33) CYP1A2CYP2C9HIF1ACYP2C19SMN1; SMN2
SCHEMBL22401522 0.64 KMT2A (0.49) MEN1KMT2ACYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed
US-5118675-A Therapy for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed