SCHEMBL22057765

SCHEMBL22057765

c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc3ccccc3c(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP1A2 P05177 2/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
RAC1 P63000 2/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
PIM1 P11309 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL18504053 0.91 IDO1 (0.38) CYP1A1CYP1B1CYP1A2HSD17B1HSD17B2
SCHEMBL18504048 0.90 KDM4E (0.41) CYP1A1CYP1B1HSD17B1HSD17B2ADORA2A
SCHEMBL18504050 0.88 KDM4E (0.40) CYP1A1CYP1B1HSD17B1HSD17B2ADORA2A
SCHEMBL18504062 0.87 IDO1 (0.37) CYP1A1CYP1B1HSD17B1HSD17B2CYP19A1
SCHEMBL18504054 0.86 CA12 (0.40) HSD17B1HSD17B2PIM1CYP11B1ALDH1A1
SCHEMBL18504056 0.85 HSD17B1 (0.45) CYP1A1CYP1B1HSD17B1HSD17B2PIM1
SCHEMBL18504077 0.84 MKNK1 (0.43) HSD17B1HSD17B2CYP11B1ALDH1A1HPGD
SCHEMBL18504081 0.83 MKNK1 (0.46) HSD17B1HSD17B2CYP11B1ALDH1A1HPGD
SCHEMBL18504052 0.83 CA12 (0.43) HSD17B1HSD17B2PIM1ALDH1A1HPGD
SCHEMBL18503948 0.83 IDO1 (0.42) CYP1A1CYP1B1ADORA2AALDH1A1HPGD

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-20200227644-A1 ORGANIC LIGHT-EMITTING DIODE OPERABLE AT LOW VOLTAGE WITH HIGH EFFICIENCY AND LONG LIFETIME SFC CO., LTD. (KR) 2020-07-16 US disclosed
EP-3660934-A1 ORGANIC LIGHT EMITTING ELEMENT CAPABLE OF DRIVING AT LOW VOLTAGE AND HAVING HIGH EFFICIENCY AND LONG LIFE CHARACTERISTICS SFC Co., Ltd. (KR) 2020-06-03 EP disclosed