SCHEMBL9536183

SCHEMBL9536183

COc1ccc(N(CC#N)c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL9535069 0.90 MTNR1A (0.43) MTNR1AMTNR1BKDM4EPOLBSMN1; SMN2
SCHEMBL341538 0.83 KEAP1 (0.47) MTNR1AMTNR1BKDM4EPOLBSMN1; SMN2
SCHEMBL28676841 0.77 KDM4E (0.49) MTNR1AMTNR1BKDM4EPOLBSMN1; SMN2
SCHEMBL24708884 0.76 MTNR1B (0.53) MTNR1AMTNR1B
SCHEMBL10654450 0.72 MTNR1A (0.44) MTNR1AMTNR1BKDM4ESMN1; SMN2TP53
SCHEMBL11165063 0.72 SMN1; SMN2 (0.56) KDM4EPOLBSMN1; SMN2AKR1C3AKR1C2
SCHEMBL3426911 0.70 MTNR1B (0.49) MTNR1AMTNR1BTP53ALDH1A1
SCHEMBL3963942 0.70 SMN1; SMN2 (0.50) KDM4EPOLBSMN1; SMN2AKR1C3AKR1C2
SCHEMBL29698599 0.70 SMN1; SMN2 (0.54) KDM4EPOLBSMN1; SMN2AKR1C3AKR1C2
SCHEMBL5694511 0.69 SMN1; SMN2 (0.49) KDM4EPOLBSMN1; SMN2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
EP-0092380-B1 ANTIALLERGIC 4H-FURO(3,2-B)INDOLES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-20 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed
US-4596814-A Antiallergens WARNER-LAMBERT COMPANY (US) 1986-06-24 US disclosed
US-4503236-A Antiallergic 4Hfuro[3,2-b]indoles WARNER-LAMBERT COMPANY (US) 1985-03-05 US disclosed
EP-0092380-A2 Antiallergic 4H-furo(3,2-b)indoles and their production WARNER-LAMBERT COMPANY (US) 1983-10-26 EP disclosed