SCHEMBL11274440

SCHEMBL11274440

CCOC(=O)c1cc(=O)c2c(o1)c1ccccc1n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAOB P27338 2/20 0.47
AKR1B1 P15121 1/20 0.47
PKM P14618 1/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42

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
SCHEMBL11283747 0.87 KDM4E (0.51) HSD17B10TSHRKDM4EALDH1A1MAOB
SCHEMBL11277143 0.85 RECQL (0.53) HSD17B10TSHRKDM4EALDH1A1MAOB
SCHEMBL11416700 0.85 MAOB (0.61) HSD17B10TSHRKDM4EALDH1A1MAOB
SCHEMBL11376692 0.85 TSHR (0.55) HSD17B10TSHRKDM4EALDH1A1PKM
SCHEMBL11419618 0.84 ALDH1A1 (0.51) TSHRKDM4EALDH1A1MAOBPKM
SCHEMBL11278189 0.82 KDM4E (0.50) HSD17B10TSHRKDM4EALDH1A1GAA
SCHEMBL11269004 0.81 EGFR (0.43) HSD17B10TSHRKDM4EALDH1A1GAA
SCHEMBL10411300 0.78 ALDH1A1 (0.58) HSD17B10TSHRKDM4EALDH1A1GAA
SCHEMBL10654954 0.76 KDM4E (0.47) HSD17B10TSHRKDM4EALDH1A1PKM
SCHEMBL8106509 0.75 AKR1B1 (0.56) TSHRMAOBAKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4110464-A INDOLOPYRONES HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1978-08-29 US claimed
US-4028383-A DIMETHYLSULFONE REACTED WITH AN ESTER OF A SUBSTITUTED INDOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1977-06-07 US claimed
US-4316904-A Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic activity WARNER-LAMBERT COMPANY 1982-02-23 US disclosed
US-4188326-A Indolopyrones having anti-allergic activity WARNER-LAMBERT COMPANY (US) 1980-02-12 US disclosed
US-4175083-A ANTIHISTAMINES, ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-11-20 US disclosed
US-4110464-A INDOLOPYRONES HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1978-08-29 US disclosed
US-4087443-A ANTIALLERGENS, ASTHMA WARNER-LAMBERT COMPANY (US) 1978-05-02 US disclosed
US-4028383-A DIMETHYLSULFONE REACTED WITH AN ESTER OF A SUBSTITUTED INDOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1977-06-07 US disclosed