SCHEMBL9756986

SCHEMBL9756986

C=C(C(=O)Nc1nnn[nH]1)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 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
SCHEMBL8130672 0.83 RAB9A (0.52) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL9756984 0.74 GAA (0.38) RAB9ASMN1; SMN2CYP1A2GAATP53
SCHEMBL9756855 0.74 CES2 (0.41) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL13715610 0.73 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2CYP1A2LMNA
SCHEMBL9756827 0.73 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL9756889 0.73 LMNA (0.42) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL9756856 0.72 PTPN1 (0.40) SMN1; SMN2PTPN1PTPN11ALDH1A1
SCHEMBL9756896 0.70 CES2 (0.38) RAB9ANPC1CES2CES1
SCHEMBL9756903 0.70 RAB9A (0.44) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL1123809 0.70 RXFP1 (0.35) LMNAPOLBGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed