SCHEMBL8156486

SCHEMBL8156486

O=Cc1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.55
▸ CYP19A1 P11511 1/20 0.53
▸ LMNA P02545 3/20 0.48
▸ PSMD14 O00487 1/20 0.48
▸ P2RX4 Q99571 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.47
▸ DNM1 Q05193 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ TSPO P30536 1/20 0.43
▸ IP6K1 Q92551 1/20 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
SCHEMBL689666 0.92 CYP19A1 (0.64) PTGER4CYP19A1LMNAPSMD14P2RX4
SCHEMBL30676985 0.87 PTGER4 (0.55) PTGER4CYP19A1LMNAPSMD14P2RX4
SCHEMBL689732 0.87 PTGER4 (0.55) PTGER4CYP19A1LMNAPSMD14P2RX4
SCHEMBL28392221 0.86 P2RX4 (0.61) PTGER4CYP19A1LMNAPSMD14P2RX4
SCHEMBL4780793 0.86 PTGER4 (0.55) PTGER4CYP19A1LMNAPSMD14P2RX4
SCHEMBL4779161 0.84 PTGER4 (0.48) PTGER4CYP19A1LMNAPSMD14HDAC6
SCHEMBL8173273 0.84 IP6K1 (0.47) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL8173275 0.84 IP6K1 (0.47) CYP19A1LMNAPSMD14P2RX4HDAC6
SCHEMBL4793959 0.83 PTGER4 (0.55) PTGER4CYP19A1LMNAPSMD14P2RX4
SCHEMBL8154947 0.82 CYP19A1 (0.77) CYP19A1P2RX4HDAC6DNM1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080770-A SUBSTITUTED 1,2,3-TRIAZOLE OR 1,2,4-TRIAZOLE COMPOUND NOVO NORDISK A/S (DK) 2000-06-27 — — US disclosed
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 — — US disclosed
US-5972978-A FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 1999-10-26 — — US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 — — US disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 — — WO disclosed
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