SCHEMBL11594362

SCHEMBL11594362

O=C(Nc1cccc(C(=O)O)c1C(=O)O)c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.68
▸ HPGD P15428 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ SLC16A3 O15427 2/20 0.59
▸ PBRM1 Q86U86 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.55
▸ KDR P35968 1/20 0.55
▸ PABPC1 P11940 1/20 0.53
▸ EIF4H Q15056 1/20 0.53
▸ SMO Q99835 2/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ KCNK3 O14649 1/20 0.52
▸ KCNK9 Q9NPC2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51

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
SCHEMBL1514283 0.87 HPGD (0.77) CYP1A2HPGDCYP2C19SLC16A3PBRM1
SCHEMBL6848585 0.85 NPC1 (0.54) PBRM1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6847188 0.83 NPC1 (0.53) PBRM1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL7832216 0.82 MEN1 (0.68) CYP1A2HPGDCYP2C19RAB9AMEN1
SCHEMBL8279069 0.81 HPGD (0.68) CYP1A2HPGDCYP2C19SLC16A3ALDH1A1
SCHEMBL11155741 0.81 PBRM1 (0.58) CYP1A2HPGDCYP2C19SLC16A3PBRM1
SCHEMBL6848512 0.80 KMT2A (0.65) CYP1A2HPGDPBRM1ALDH1A1RAB9A
SCHEMBL2700280 0.80 CYP1A2 (0.77) CYP1A2HPGDCYP2C19SLC16A3PBRM1
SCHEMBL11590186 0.80 SUCNR1 (0.58) KDRPABPC1EIF4HRAB9AMEN1
SCHEMBL13690053 0.79 HPGD (0.64) CYP1A2HPGDCYP2C19SLC16A3ALDH1A1

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-4088651-A Acylamino quinophthalone compounds BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 — — US disclosed
Send feedback