SCHEMBL9169823

SCHEMBL9169823

O=C(NCc1cccnc1)c1ccc(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.52
▸ LMNA P02545 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ ROCK2 O75116 2/20 0.49
▸ HTT P42858 3/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL9175548 0.93 PTGER1 (0.51) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9175017 0.91 PTGER1 (0.61) PTGER1ALDH1A1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL9165687 0.90 PTGER1 (0.60) PTGER1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9167824 0.88 PTGER1 (0.53) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9170896 0.88 PTGER1 (0.53) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9165678 0.88 LMNA (0.55) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9172765 0.88 PTGER1 (0.50) PTGER1LMNAALDH1A1KMT2AMAPT
SCHEMBL9159250 0.88 PTGER1 (0.61) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9174933 0.87 PTGER1 (0.49) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9173178 0.87 PTGER1 (0.49) PTGER1LMNASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420270-A ANALGESICS; FOR TREATMENT OF PROSTAGLANDIN E2 MEDIATED DISEASES G. D. SEARLE & CO. (US) 1995-05-30 — — US claimed
US-5420270-A ANALGESICS; FOR TREATMENT OF PROSTAGLANDIN E2 MEDIATED DISEASES G. D. SEARLE & CO. (US) 1995-05-30 — — US disclosed
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