SCHEMBL7709183

SCHEMBL7709183

CCn1nnc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.62
ATM Q13315 1/20 0.58
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL6872550 0.85 LMNA (0.61) LMNASMN1; SMN2POLBHPGDUSP2
SCHEMBL22530321 0.83 LMNA (0.58) LMNASMN1; SMN2POLBATMHPGD
SCHEMBL2644386 0.81 SMN1; SMN2 (0.69) LMNASMN1; SMN2USP2TP53TRPM8
SCHEMBL2619292 0.80 SMN1; SMN2 (0.68) LMNASMN1; SMN2ATMHPGDCYP1A2
SCHEMBL3087490 0.79 LMNA (0.54) LMNASMN1; SMN2POLBATMHPGD
SCHEMBL3544012 0.79 LMNA (0.71) LMNASMN1; SMN2HPGDCYP2C9TSHR
SCHEMBL2187784 0.77 LMNA (0.69) LMNASMN1; SMN2TP53TRPM8NPC1
SCHEMBL8849222 0.77 HDAC6 (0.60) LMNASMN1; SMN2POLBATMTP53
SCHEMBL10732701 0.77 LMNA (0.52) LMNASMN1; SMN2POLBATMHPGD
SCHEMBL7061698 0.77 LMNA (0.63) LMNASMN1; SMN2HPGDTP53TSHR

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-6436952-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS; INFLAMMATORY AIRWAY DISORDERS, SUCH AS ASTHMA; ANTIINFLAMMATORY; 6-(4-(2H-2-ETHYLTETRAZOL-5-YL) PHENYL)-1,2,3,4,4A,10B-HEXAHYDROBENZO(C)(1,6)NAOHTHYRIDINE N-2-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-08-20 US disclosed